(5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate

C13H15N3O2S — CID 91182089

IUPAC(5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate
SMILESCC(C)(C)c1nnc(OC(=O)Nc2ccccc2)s1
InChIInChI=1S/C13H15N3O2S/c1-13(2,3)10-15-16-12(19-10)18-11(17)14-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,17)
InChIKeyCTICNSLSBBBVLQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.45
Rot. Bonds2

About (5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate

(5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate (PubChem CID 91182089) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is (5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate
PubChem CID91182089
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name(5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate
SMILESCC(C)(C)c1nnc(OC(=O)Nc2ccccc2)s1
InChIInChI=1S/C13H15N3O2S/c1-13(2,3)10-15-16-12(19-10)18-11(17)14-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,17)
InChIKeyCTICNSLSBBBVLQ-UHFFFAOYSA-N
XLogP3.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-tert-butylphenyl) N-phenylcarbamate
CID 681743
thiadiazol-4-yl N-phenylcarbamate
CID 67362884
(3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate
CID 91312207
2-chloropropan-2-yl N-phenylcarbamate
CID 70225555
3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4563108
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea
CID 122693163
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate
CID 57469780
pyridin-2-yl N-phenylcarbamate
CID 4689975
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
CID 68594224
CID 68594224

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate?
The IUPAC name of (5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate (CID 91182089) is (5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate.
What is the SMILES notation for (5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate?
The canonical SMILES for (5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate is CC(C)(C)c1nnc(OC(=O)Nc2ccccc2)s1.
What is the InChIKey of (5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate?
The InChIKey is CTICNSLSBBBVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-13(2,3)10-15-16-12(19-10)18-11(17)14-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,17).
What are the key properties of (5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate?
(5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate has a molecular weight of 277.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate is sourced from PubChem (CID 91182089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).